Complexes after comparative docking

Receptor: model based on 1CBK chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
ROI_E_5 0.000 4.5 0.68 94.4 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN 1CBK Raw